化工社化工社 化学情報印刷レポート · 研究参考用
2,4,6-トリクロロフェノキシ酢酸
2,4,6-トリクロロフェノキシ酢酸 · 2-(2,4,6-トリクロロフェノキシ)酢酸 · (2,4,6-トリクロロフェノキシ)酢酸 · 2,4,6-T STANDARD · 2,4,6-T IN ACETONITRILE · 2,4,6-T標準品 · 2,4,6-T Standard, 100 µg/mL in MeOH · 2,4,6-T, 100 µg/mL in AcCN
識別子と物理属性
| CAS No. | 575-89-3 |
|---|---|
| 分子式 | C8H5Cl3O3 |
| 平均分子量 | 255.5 g/mol |
| 単同位体質量 | 253.930427 g/mol |
| SMILES | O=C(O)COc1c(Cl)cc(Cl)cc1Cl |
| InChIKey | KZDCLQBOHGBWOI-UHFFFAOYSA-N |
| PubChem CID | 11331 |
| ChEMBL | CHEMBL173077 |
| EC No. | 209-394-0 |
| DTXSID | DTXSID70206113 |
| 現地名 | 2,4,6-トリクロロフェノキシ酢酸 |
化学・物理的性質
| XLogP | 3.6 |
|---|---|
| 極性表面積 | 46.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 3 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 200 |
| 融点 | 185°C |
| 沸点 | 361.82°C (rough estimate) |
| 密度 | 1.6048 (rough estimate) |
| 屈折率 | 1.4700 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | クロロホルム（微量）、メタノール（微量）247.8mg/L(25℃) |
| pKa（酸解離定数） | 2.87±0.10(Predicted) |
| 外観・状態 | 個体 |
| 色 | ホワイトからオフホワイト |
| 安定性 | 塩基、強力な酸化剤と相容れない。 |
| InChI | InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13) |
| InChIKey | KZDCLQBOHGBWOI-UHFFFAOYSA-N |
| SMILES | C(O)(=O)COC1=C(Cl)C=C(Cl)C=C1Cl |
| CAS データベース | 575-89-3 |
化学的特性
solid
安全性と法規制
| GHS 分類 | WarningH302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Acetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (95%)Eye Irrit. 2 (97.5%) |
| RTECS 番号 | AJ8405000 |
| 輸送番号（UN） | UN 2811 6.1/PG III |
| 税関コード | 2918.99.4700 |
| 危険文句（R） | 20/21/22-36/37/38-40 |
| 安全措置（S） | 22-36/37/39 |
| 危険等級 | 6.1 |
| 包装等級 | III |
用途
使用
(2,4,6-Trichlorophenoxy)acetic Acid is suitable for plant cell culture testing. Post-emergence herbicide.